MMsINC Database Search


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MMsINC code: MMs01349968

Type: Neutral
Formula: C₁₉H₂₂FNO

SMILES:

Fc1ccccc1CNC(=O)c1c(C)c(C)c(C)c(C)c1C

InChI:

InChI=1/C19H22FNO/c1-11-12(2)14(4)18(15(5)13(11)3)19(22)21-10-16-8-6-7-9-17(16)20/h6-9H,10H2,1-5H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.8713 kcal/mol

Physical Properties
Molecular Weight: 299.389 g/mol	logS: -5.96349	SlogP: 4.5642	Reactive groups: 0

Topological Properties
Globularity: 0.103447	Sterimol/B1: 2.70204	Sterimol/B2: 4.73307	Sterimol/B3: 4.77509
Sterimol/B4: 5.5354	Sterimol/L: 14.9691

Surface and Volume Properties
Accessible surface: 552.587	Positive charged surface: 318.438	Negative charged surface: 234.149	Volume: 306.125
Hydrophobic surface: 512.939	Hydrophilic surface: 39.648

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.